基本情報
- 標準SMILES
CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2CNCC1- InChIKey
BEJUUNOSKFATNL-UHFFFAOYSA-N- 分子式
- C23H35NO2
- 平均分子量
- 357.5 g/mol
- 単同位体質量
- 357.26677936
名称と識別子
- 優先名称
- 5H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-
- IUPAC
- 5,5-dimethyl-8-(3-methyloctan-2-yl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol
- 現地名
- 8-(1,2-ジメチルヘプチル)-1,3,4,5-テトラヒドロ-5,5-ジメチル-2H-[1]ベンゾピラノ[4,3-c]ピリジン-10-オール
- 英語名
- 8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2H-[1]benzopyrano[4,3-c]pyridin-10-ol
- 分子式
- C23H35NO2
- 分子量
- 357.53
名称と別名
BRN 122517726685-53-05H-(1)Benzopyrano(4,3-c)pyridine, 1,2,3,4-tetrahydro-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-RefChem:3051195,5-dimethyl-8-(3-methyloctan-2-yl)-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-olSCHEMBL9028216DTXSID40949500BEJUUNOSKFATNL-UHFFFAOYSA-N10-hydroxy-5,5-dimethyl-8-(1,2,-dimethylheptyl)-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine10-hydroxy-5,5-dimethyl-8-(1,2-dimethylheptyl)-1,2,3,4-tetrahydro-5 H-[1] benzopyrano [4,3-c] pyridine10-hydroxy-5,5-dimethyl-8-(1,2-dimethylheptyl)-1,2,3,4-tetrahydro-5H-[1] benzopyrano[4,3-c]pyridine10-hydroxy-5,5-dimethyl-8-(1,2-dimethylheptyl)-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine
名称をさらに表示
8-(1,2-ジメチルヘプチル)-1,3,4,5-テトラヒドロ-5,5-ジメチル-2H-[1]ベンゾピラノ[4,3-c]ピリジン-10-オール5,5-ジメチル-8-(3-メチルオクタン-2-イル)-1H,2H,3H,4H,5H-クロメノ[4,3-c]ピリジン-10-オール5,5-dimethyl-8-(3-methyloctan-2-yl)-2,3,4,5-tetrahydro-1H-chromeno[4,3-c]pyridin-10-ol8-(1,2-Dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2H-[1]benzopyrano[4,3-c]pyridin-10-ol2H-[1]Benzopyrano[4,3-c]pyridin-10-ol, 8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-5,5-dimethyl-8-(3-methyloctan-2-yl)-2,3,4,5-tetrahydro-1H-chromeno[4,3-c]pyridin-10-ol(WXG01032)
5,5-dimethyl-10-hydroxy-8-(3-methyl-2-octyl)-1,2,3,4-tetrahydro-5H-[1]benzopyrano[3,4-d]pyridine5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-1,2,3,4-tetrahydro-5H-[1] benzopyrano[3,4-d]pyridine5,5-Dimethyl-8-(3-methyloctan-2-yl)-1,3,4,5-tetrahydro-2H-[1]benzopyrano[4,3-c]pyridin-10-ol
データベース識別子
- CAS
26685-53-0- PubChem CID
- 213543
- DTXSID
DTXSID40949500- Nikkaji
- J41.994J
物性
構造計算による物性
- XLogP
- 5.1
- 極性表面積
- 41.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 3
- 回転可能結合数
- 6
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 512
物理化学的性質
- 沸点
- 490.5 · 490.5±45.0 °C(Predicted)
- 比重(密度)
- 1.06 · 1.06±0.1 g/cm3(Predicted)
- 酸解離定数(Pka)
- 9.84 · 9.84±0.40(Predicted)
化学と産業
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関連反応
26 件
関連ノート
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